N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide

C15H16N4O2S — CID 885036

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide
SMILESCc1cc(C)n(-c2ccc3cccc(NS(C)(=O)=O)c3n2)n1
InChIInChI=1S/C15H16N4O2S/c1-10-9-11(2)19(17-10)14-8-7-12-5-4-6-13(15(12)16-14)18-22(3,20)21/h4-9,18H,1-3H3
InChIKeyYVJYHMAMNYGITG-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.41
Rot. Bonds3

About N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide

N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide (PubChem CID 885036) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide
PubChem CID885036
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide
SMILESCc1cc(C)n(-c2ccc3cccc(NS(C)(=O)=O)c3n2)n1
InChIInChI=1S/C15H16N4O2S/c1-10-9-11(2)19(17-10)14-8-7-12-5-4-6-13(15(12)16-14)18-22(3,20)21/h4-9,18H,1-3H3
InChIKeyYVJYHMAMNYGITG-UHFFFAOYSA-N
XLogP2.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

F0307-0132
CID 722331
(3-Chloro-quinoxalin-2-yl)-(5-methyl-2-o-tolyl-2H-pyrazol-3-yl)-amine
CID 931566
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)quinoxalin-2-amine
CID 6621633
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-(4-methylphenyl)quinoxalin-2-amine
CID 9550461
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-(3,5-dimethylphenyl)quinoxalin-2-amine
CID 15989749
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-(2,3-dimethylphenyl)quinoxalin-2-amine
CID 15989823
US9156811, Ddd88523
CID 58561133
3-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 5301577
3-(3,5-Dimethyl-1H-pyrazol-1-YL)-N-[4-(propan-2-YL)phenyl]quinoxalin-2-amine
CID 15989807
2-(3,5-dimethyl-1H-pyrazol-1-yl)quinoline
CID 3809434
Cambridge id 5175152
CID 1070476
2-(3,5-dimethyl-1H-pyrazol-1-yl)-4-methylquinoline
CID 700871

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide (CID 885036) is N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide is Cc1cc(C)n(-c2ccc3cccc(NS(C)(=O)=O)c3n2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide?
The InChIKey is YVJYHMAMNYGITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-10-9-11(2)19(17-10)14-8-7-12-5-4-6-13(15(12)16-14)18-22(3,20)21/h4-9,18H,1-3H3.
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide?
N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide has a molecular weight of 316.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)quinolin-8-yl]methanesulfonamide is sourced from PubChem (CID 885036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).